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Structure of Nano‐sized CeO 2 Materials: Combined Scattering and Spectroscopic Investigations
Author(s) -
Marchbank Huw R.,
Clark Adam H.,
Hyde Timothy I.,
Playford Helen Y.,
Tucker Matthew G.,
Thompsett David,
Fisher Janet M.,
Chapman Karena W.,
Beyer Kevin A.,
Monte Manuel,
Longo Alessandro,
Sankar Gopinathan
Publication year - 2016
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201600697
Subject(s) - reverse monte carlo , neutron diffraction , extended x ray absorption fine structure , materials science , analytical chemistry (journal) , diffraction , spectroscopy , x ray crystallography , nano , coordination number , nist , stoichiometry , crystallography , absorption spectroscopy , crystal structure , chemistry , physics , ion , optics , natural language processing , computer science , organic chemistry , chromatography , quantum mechanics , composite material
The structure of several nano‐sized ceria, CeO 2 , systems was investigated using neutron and X‐ray diffraction and X‐ray absorption spectroscopy. Whilst both diffraction and total pair distribution functions (PDFs) revealed that in all of the samples the occupancy of both Ce 4+ and O 2− are very close to the ideal stoichiometry, the analysis using Reverse Monte Carlo technique revealed significant disorder around oxygen atoms in the nano‐sized ceria samples in comparison to the highly crystalline NIST standard. In addition, the analysis revealed that the main differences observed in the pair correlations from various X‐ray and neutron diffraction techniques were attributable to the particle size of the CeO 2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L 3 ‐ and K‐edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, is attributed to differences in particle size.